1-[2-(1-adamantyl)ethyl]-1-[(E)-but-2-enyl]-3-(3-pyridin-4-ylpropyl)urea

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-1-[(E)-but-2-enyl]-3-(3-pyridin-4-ylpropyl)urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-1-[(E)-but-2-enyl]-3-[3-(4-pyridyl)propyl]urea CAS Name: 1-[2-(1-adamantyl)ethyl]-1-[(E)-but-2-enyl]-3-(3-pyridin-4-ylpropyl)urea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-1-[(E)-but-2-enyl]-3-(3-pyridin-4-ylpropyl)urea Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-[(E)-but-2-enyl]-3-[3-(4-pyridyl)propyl]urea Formula: C25H37N3O MolecularWeight: 395.58078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=CC=NC=C4

Isomeric SMILES

C/C=C/CN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=CC=NC=C4

InChI

InChI=1S/C25H37N3O/c1-2-3-12-28(24(29)27-9-4-5-20-6-10-26-11-7-20)13-8-25-17-21-14-22(18-25)16-23(15-21)19-25/h2-3,6-7,10-11,21-23H,4-5,8-9,12-19H2,1H3,(H,27,29)/b3-2+